D361-1122 Screening compound: 4-(2,3-difluorophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-1122 Screening compound: 4-(2,3-difluorophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-1122 Screening compound: 4-(2,3-difluorophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1122
4-(2,3-difluorophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D361-1122

Molecular Formula

C23H18F2N6O2 (C23 H18 F2 N6 O2)

Compound Name

4-(2,3-difluorophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(23-difluorophenyl)-1-[5-(3-methoxyphenyl)-124-triazin-3-yl]-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cccc(F)c2F)c2NC1=O)nn2-c1nncc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C23H18F2N6O2/c1-12-20-16(15-7-4-8-17(24)21(15)25)10-19(32)28-22(20)31(30-12)23-27-18(11-26-29-23)13-5-3-6-14(9-13)33-2/h3-9,11,16H,10H2,1-2H3,(H,28,32)/t16-/m1/s1

InChI Key

NEHQHIULLUWZMD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14824897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.98

Polar Surface Area

77.919

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

D361-1122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D361-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1122?
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What is the minimum amount of D361-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1122
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D361-1122 available by request